Geometry & MOs

Info

ID:

322073

PubChem CID:

126668503

Reduced:

ClSO4N6H17C22 (1)

Stoich.:

ABC4D6E17F22 (1)

Weight, g/mol:

884.313824

ΔHf, kcal/mol:

42.02

Dipole, Da:

10.39

IP(EA), eV:

 -8.51(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2C3=CC(=C(O3)C4=NNN=N4)OCC5=CC=CC=N5)Cl

DOS

IR

Vibrations